General Information of the Compound
| Compound ID |
CP0270728
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| Compound Name |
(1S,2S)-2-(4-methoxyphenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C21H18N4O2S
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| Molecular Weight |
390.468
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| Canonical SMILES |
COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cn[nH]c1
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| InChI |
InChI=1S/C21H18N4O2S/c1-27-15-5-2-12(3-6-15)16-9-17(16)20(26)25-21-24-18-7-4-13(8-19(18)28-21)14-10-22-23-11-14/h2-8,10-11,16-17H,9H2,1H3,(H,22,23)(H,24,25,26)/t16-,17+/m1/s1
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| InChIKey |
TYRRNKNTRGLDAB-SJORKVTESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound